SCHEMBL7309533

SCHEMBL7309533

CCC(=O)NC(=N)c1ccc(N2CC(CN3CCN(C(CC(=O)O)C(=O)O)CC3)OC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.46
ITGA2B P08514 10/20 0.46
SIGMAR1 Q99720 9/20 0.40
GRM2 Q14416 1/20 0.40
PRSS1 P07477 9/20 0.39
PRSS2 P07478 9/20 0.39
PRSS3 P35030 9/20 0.39
F10 P00742 6/20 0.39
F2 P00734 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7314728 0.92 ITGB3 (0.45) ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL7316121 0.92 ITGB3 (0.54) ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL7312475 0.92 ITGB3 (0.51) ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL7315130 0.89 ITGB3 (0.42) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7316851 0.86 ITGB3 (0.54) ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL7311098 0.86 ITGB3 (0.48) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7637776 0.86 ITGB3 (0.51) ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL7310441 0.85 ITGB3 (0.51) ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL7307251 0.85 ITGB3 (0.54) ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL7313444 0.83 ITGB3 (0.49) ITGB3ITGA2BSIGMAR1GRM2PRSS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741133-A2 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-11-06 EP disclosed